8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline

C15H19N3O2S — CID 124695192

IUPAC8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
SMILESC[C@H]1CN(S(=O)(=O)Cc2cccc3cccnc23)CCN1
InChIInChI=1S/C15H19N3O2S/c1-12-10-18(9-8-16-12)21(19,20)11-14-5-2-4-13-6-3-7-17-15(13)14/h2-7,12,16H,8-11H2,1H3/t12-/m0/s1
InChIKeyBKERNKMHRYACFN-LBPRGKRZSA-N
MW305.40 g/mol
LogP1.36
Rot. Bonds3

About 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline

8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline (PubChem CID 124695192) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline.

Molecular Properties

Compound Name8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
PubChem CID124695192
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
SMILESC[C@H]1CN(S(=O)(=O)Cc2cccc3cccnc23)CCN1
InChIInChI=1S/C15H19N3O2S/c1-12-10-18(9-8-16-12)21(19,20)11-14-5-2-4-13-6-3-7-17-15(13)14/h2-7,12,16H,8-11H2,1H3/t12-/m0/s1
InChIKeyBKERNKMHRYACFN-LBPRGKRZSA-N
XLogP1.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
3-methyl-1-(pyridin-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 71639477
N-methyl-1-[1-(quinolin-8-ylmethylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119977908
N-methyl-1-[(3S)-1-(quinolin-8-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 124687354
2-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]benzonitrile
CID 104976491
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
3-(2-methylpropyl)-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one
CID 126776547
3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one
CID 126776936
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
CID 119981962
8-[(2-ethyl-5-methylpiperazin-1-yl)methyl]quinoline
CID 64845277
(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
CID 97163307

Frequently Asked Questions

What is the IUPAC name of 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline?
The IUPAC name of 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline (CID 124695192) is 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline.
What is the SMILES notation for 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline?
The canonical SMILES for 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline is C[C@H]1CN(S(=O)(=O)Cc2cccc3cccnc23)CCN1.
What is the InChIKey of 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline?
The InChIKey is BKERNKMHRYACFN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-10-18(9-8-16-12)21(19,20)11-14-5-2-4-13-6-3-7-17-15(13)14/h2-7,12,16H,8-11H2,1H3/t12-/m0/s1.
What are the key properties of 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline?
8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline has a molecular weight of 305.40 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline is sourced from PubChem (CID 124695192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).